
 CHEMBL1208925

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2841   -1.3031    0.1011 C   0  0  0  0  0
    2.2188   -0.0380   -0.1296 C   0  0  0  0  0
    1.3432    1.2489    0.1845 C   0  0  0  0  0
   -0.0050    0.6631    0.1743 C   0  0  0  0  0
   -0.0594   -0.6949    0.1287 C   0  0  0  0  0
   -1.4232   -1.0296    0.1171 C   0  0  0  0  0
   -2.1667    0.1074    0.1501 N   0  0  0  0  0
   -1.2700    1.1224    0.1824 N   0  0  0  0  0
   -1.9977   -2.3757    0.0763 C   0  0  0  0  0
   -1.3505   -3.4163    0.0518 O   0  0  0  0  0
   -3.3520   -2.4343    0.0670 O   0  0  0  0  0
    2.7932   -0.0036   -1.5338 C   0  0  0  0  0
    4.1469   -0.0153   -1.8202 C   0  0  0  0  0
    4.4758    0.0298   -3.4975 S   0  0  0  0  0
    2.8117    0.0640   -3.8767 C   0  0  0  0  0
    2.0249    0.0432   -2.7471 C   0  0  0  0  0
    1.5083   -1.7574    1.0724 H   0  0  0  0  0
    1.3900   -2.0591   -0.6823 H   0  0  0  0  0
    3.0569   -0.0809    0.5792 H   0  0  0  0  0
    1.4711    2.0464   -0.5525 H   0  0  0  0  0
    1.5841    1.6304    1.1824 H   0  0  0  0  0
   -1.6162    2.0770    0.2055 H   0  0  0  0  0
   -3.5382   -3.3922    0.0414 H   0  0  0  0  0
    4.9712   -0.0501   -1.1207 H   0  0  0  0  0
    2.4881    0.0961   -4.9081 H   0  0  0  0  0
    0.9415    0.0578   -2.7890 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 22  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 25  1  0  0  0
 16 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1208925

>  <PubChem CID>
12003597

>  <Formula>
C11H10N2O2S

>  <Molecular Weight>
234.273000

>  <IUPAC Name>
5-thiophen-3-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(CC2=C1C(=NN2)C(=O)O)C3=CSC=C3

>  <Isomeric SMILES>
C1C(CC2=C1C(=NN2)C(=O)O)C3=CSC=C3

>  <InChI Std. ID>
InChI=1S/C11H10N2O2S/c14-11(15)10-8-3-7(4-9(8)12-13-10)6-1-2-16-5-6/h1-2,5,7H,3-4H2,(H,12,13)(H,14,15)

>  <InChI Key>
NORFNLMDAVXSMV-UHFFFAOYSA-N

